2-(3-Pyridyl)thiazole-4-carboxylic acid

HCID 736513

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Grundinformationen

CAS: 39067-29-3
Standard-SMILES: O=C(O)c1csc(-c2cccnc2)n1
InChIKey: FOQFGMAZUTUELM-UHFFFAOYSA-N
Summenformel: C9H6N2O2S
Durchschnittliche Molmasse: 206,22 g/mol
Monoisotopische Masse: 206,01499843

Namen und Bezeichner

Bevorzugter Name: 2-(3-Pyridyl)thiazole-4-carboxylic acid
IUPAC: 2-pyridin-3-yl-1,3-thiazole-4-carboxylic acid
Englischer Name: 2-(3-PYRIDYL)-1,3-THIAZOLE-4-CARBOXYLIC ACID
Summenformel: C9H6N2O2S
Molmasse: 206.22

Namen und Synonyme

2-(3-PYRIDYL)THIAZOLE-4-CARBOXYLIC ACIDRefChem:455921670-393-739067-29-32-(Pyridin-3-yl)thiazole-4-carboxylic acid2-(3-pyridyl)-1,3-thiazole-4-carboxylic acid2-(pyridin-3-yl)-1,3-thiazole-4-carboxylic acid2-Pyridin-3-yl-thiazole-4-carboxylic acidMFCD000523042-pyridin-3-yl-1,3-thiazole-4-carboxylic acid2-(3-pyridinyl)-4-thiazolecarboxylic acid2-(3-PYRIDINYL)-1,3-THIAZOLE-4-CARBOXYLIC ACID

Weitere Namen anzeigen

4-Carboxy-2-(pyridin-3-yl)-1,3-thiazole, 3-(4-Carboxy-1,3-thiazol-2-yl)pyridine

4-thiazolecarboxylic acid, 2-(3-pyridinyl)-BUTTPARK 98\12-24CDS1_000037Maybridge1_0023254-Thiazolecarboxylicacid, 2-(3-pyridinyl)-2-(3-Pyridyl)Thiazole-4-Carboxylic Acid, 97%DivK1c_001077SCHEMBL369871

Datenbank-Bezeichner

CAS: 39067-29-3
PubChem CID: 736513
DTXSID: DTXSID00353048
EC Number: 670-393-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 91,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 225

Physikochemische Eigenschaften

Schmelzpunkt: 283 °C · 283 °C
Siedepunkt: 460.3 · 460.3±51.0 °C(Predicted)
Dichte: 1.44 · 1.440±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 3.29 · 3.29±0.10(Predicted)
CAS Datenbank: 39067 · 39067-29-3

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 35 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 2934100090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-(3-Pyridyl)thiazole-4-carboxylic acid is a pyridylthiazole compound that has use in a variety of diverse applications from highly luminescent heterocyclic compounds to potential antiulcer drugs, to the formation of double and triple helicates with Cu(II) and to the mesoscopically ordered pH-responsive hybrid materials.